General Information of the Compound
| Compound ID |
CP0297769
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| Compound Name |
N-[2-[5-ethyl-2-[(3-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethyl]acetamide
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| Structure |
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| Formula |
C22H25NO3
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| Molecular Weight |
351.446
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| Canonical SMILES |
CCc1ccc2oc(Cc3cccc(OC)c3)c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C22H25NO3/c1-4-16-8-9-21-20(13-16)19(10-11-23-15(2)24)22(26-21)14-17-6-5-7-18(12-17)25-3/h5-9,12-13H,4,10-11,14H2,1-3H3,(H,23,24)
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| InChIKey |
XAAPVWYAMTXQIO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B